dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate

C16H18N2O4 — CID 57121358

IUPACdimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate
SMILESCOC(=O)C1=NN=C(C)C(C(=O)OC)C1c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4/c1-9-5-7-11(8-6-9)13-12(15(19)21-3)10(2)17-18-14(13)16(20)22-4/h5-8,12-13H,1-4H3
InChIKeyUBSLSZZMYSZGPB-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.87
Rot. Bonds3

About dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate

dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate (PubChem CID 57121358) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate
PubChem CID57121358
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Namedimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate
SMILESCOC(=O)C1=NN=C(C)C(C(=O)OC)C1c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4/c1-9-5-7-11(8-6-9)13-12(15(19)21-3)10(2)17-18-14(13)16(20)22-4/h5-8,12-13H,1-4H3
InChIKeyUBSLSZZMYSZGPB-UHFFFAOYSA-N
XLogP1.87
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate?
The IUPAC name of dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate (CID 57121358) is dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate is COC(=O)C1=NN=C(C)C(C(=O)OC)C1c1ccc(C)cc1.
What is the InChIKey of dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate?
The InChIKey is UBSLSZZMYSZGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-9-5-7-11(8-6-9)13-12(15(19)21-3)10(2)17-18-14(13)16(20)22-4/h5-8,12-13H,1-4H3.
What are the key properties of dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate?
dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate is sourced from PubChem (CID 57121358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).